Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands
<div class="page" title="Page 1"> <div class="layoutArea"> <div class="column"> <p> <span style="font-size: 8.000000pt; font-family: 'Calibri'">Keplerates are a family of anionic metal oxide spherical capsules...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2017 |
| País: | España |
| Institución: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:2072/305821 |
| Acceso en línea: | http://hdl.handle.net/2072/305821 https://doi.org/10.1039/C6CP08511C |
| Access Level: | acceso abierto |
| Palabra clave: | Keplerates DFT polyoxometalates |
| Sumario: | <div class="page" title="Page 1"> <div class="layoutArea"> <div class="column"> <p> <span style="font-size: 8.000000pt; font-family: 'Calibri'">Keplerates are a family of anionic metal oxide spherical capsules containing up to 132 metal atoms and some hundreds of oxygens. These capsules holding a high negative charge of -12 coordinate both mono-anionic and di-anionic ligands thus raising its charge till -42 even till -72, which is compensated by the corresponding counter-cations in X-Ray structures. We present an analysis of the relative importance of several energy terms of the coordinate bond between the capsule and ligands like carbonate, sulphate, sulphite, phosphinate, selenate, and a variety of carboxylates, of which the overriding component is the contribution due to solvation/de-solvation effects. </span></p> </div> </div> </div> <p> </p> |
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